DocumentCode
3674581
Title
Operator newton iterative convergence for time dependent density functional theory
Author
Joseph W. Jerome
Author_Institution
Northwestern Univ., Evanston, IL, USA
fYear
2015
Firstpage
1
Lastpage
4
Abstract
In a recent publication, the author has established the existence of a unique weak solution of the initial/boundaryvalue problem for a closed quantum system modeled by time dependent density function theory (TDDFT). We describe a Newton iteration, based upon the technique used to prove (unique) existence for the TDDFT model.We show that successive approximation at the operator level, based upon the evolution operator, is sufficient to obtain a `starting iterate´ for Newton´s method. We discuss the so-called quadratic convergence associated with Newton´s method. In the process, we obtain a Kantorovich type theorem for TDDFT.
Keywords
"Density functional theory","Approximation methods","Convergence","Mathematical model","Newton method","Presses","Correlation"
Publisher
ieee
Conference_Titel
Computational Electronics (IWCE), 2015 International Workshop on
Type
conf
DOI
10.1109/IWCE.2015.7301967
Filename
7301967
Link To Document